UCSF

ZINC34883374

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.79 13.25 -14.52 1 5 0 52 416.431 4
Lo Low (pH 4.5-6) 3.79 13.72 -41.6 2 5 1 53 417.439 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )